1-(4-iodophenyl)-N-propylhexan-3-amine

C15H24IN — CID 65479065

IUPAC1-(4-iodophenyl)-N-propylhexan-3-amine
SMILESCCCNC(CCC)CCc1ccc(I)cc1
InChIInChI=1S/C15H24IN/c1-3-5-15(17-12-4-2)11-8-13-6-9-14(16)10-7-13/h6-7,9-10,15,17H,3-5,8,11-12H2,1-2H3
InChIKeyBFNSYWMQICIFKB-UHFFFAOYSA-N
MW345.27 g/mol
LogP4.39
Rot. Bonds8

About 1-(4-iodophenyl)-N-propylhexan-3-amine

1-(4-iodophenyl)-N-propylhexan-3-amine (PubChem CID 65479065) has the molecular formula C15H24IN and a molecular weight of 345.27 g/mol. Its IUPAC name is 1-(4-iodophenyl)-N-propylhexan-3-amine.

Molecular Properties

Compound Name1-(4-iodophenyl)-N-propylhexan-3-amine
PubChem CID65479065
Molecular FormulaC15H24IN
Molecular Weight345.27 g/mol
Exact Mass345.10
IUPAC Name1-(4-iodophenyl)-N-propylhexan-3-amine
SMILESCCCNC(CCC)CCc1ccc(I)cc1
InChIInChI=1S/C15H24IN/c1-3-5-15(17-12-4-2)11-8-13-6-9-14(16)10-7-13/h6-7,9-10,15,17H,3-5,8,11-12H2,1-2H3
InChIKeyBFNSYWMQICIFKB-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylphenyl)-N-propylpentan-3-amine
CID 60994999
6-methyl-1-(4-methylphenyl)-N-propylheptan-3-amine
CID 105127031
1-(4-iodophenyl)-N-propyldecan-2-amine
CID 115864004
1-(4-iodophenyl)-4-methylsulfanyl-N-propylbutan-2-amine
CID 105151870
4-(4-iodophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
CID 113291375
7-methyl-1-(4-methylphenyl)-N-propyloctan-3-amine
CID 105177113
1-(3-chlorohexyl)-4-iodobenzene
CID 65477934
1-(2-methylquinolin-6-yl)-N-propylhexan-3-amine
CID 81230551
6-methyl-1-(4-methylphenyl)-N-propylhept-6-en-3-amine
CID 105182618
6,6,6-trifluoro-1-(4-methoxyphenyl)-N-propylhexan-3-amine
CID 79959286
1-cyclopentyl-4-(4-methylphenyl)-N-propylbutan-2-amine
CID 105138992
1-(4-methoxyphenyl)-5-methyl-N-propyloctan-3-amine
CID 115845424

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-N-propylhexan-3-amine?
The IUPAC name of 1-(4-iodophenyl)-N-propylhexan-3-amine (CID 65479065) is 1-(4-iodophenyl)-N-propylhexan-3-amine.
What is the SMILES notation for 1-(4-iodophenyl)-N-propylhexan-3-amine?
The canonical SMILES for 1-(4-iodophenyl)-N-propylhexan-3-amine is CCCNC(CCC)CCc1ccc(I)cc1.
What is the InChIKey of 1-(4-iodophenyl)-N-propylhexan-3-amine?
The InChIKey is BFNSYWMQICIFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24IN/c1-3-5-15(17-12-4-2)11-8-13-6-9-14(16)10-7-13/h6-7,9-10,15,17H,3-5,8,11-12H2,1-2H3.
What are the key properties of 1-(4-iodophenyl)-N-propylhexan-3-amine?
1-(4-iodophenyl)-N-propylhexan-3-amine has a molecular weight of 345.27 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-N-propylhexan-3-amine is sourced from PubChem (CID 65479065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).